Compound Detail
CHEMBL3290406
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Basic Information
| ChEMBL ID | CHEMBL3290406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DELWWBDBFMAAMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
0.01
ALogP
5
HBA
4
HBD
98.7
PSA (Ų)
0.25
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1610.0 | nM | 5.79 | Inhibition of Bacillus pasteurii urease using urea substrate assessed as reducti... | 24986232 |
| Tyrosinase | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate... | 24857777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24857777 | 10.1016/j.bmc.2014.04.060 | Tyrosinase | 2 |
| 24986232 | 10.1016/j.bmc.2014.05.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine